UCSF

ZINC26895154

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 5.67 -20.67 1 5 0 72 313.334 3
Hi High (pH 8-9.5) 2.37 6.45 -63.79 0 5 -1 75 312.326 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )